2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine

C35H23N3 — CID 165054491

IUPAC2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C35H23N3/c1-3-12-24(13-4-1)28-22-23-32(30-20-10-9-19-29(28)30)35-37-33(26-15-5-2-6-16-26)36-34(38-35)31-21-11-17-25-14-7-8-18-27(25)31/h1-23H
InChIKeyQISVTDNLTGSVQP-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.85
Rot. Bonds4

About 2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine

2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 165054491) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID165054491
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C35H23N3/c1-3-12-24(13-4-1)28-22-23-32(30-20-10-9-19-29(28)30)35-37-33(26-15-5-2-6-16-26)36-34(38-35)31-21-11-17-25-14-7-8-18-27(25)31/h1-23H
InChIKeyQISVTDNLTGSVQP-UHFFFAOYSA-N
XLogP8.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414
2-naphthalen-1-yl-4-(3-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 177278754
2-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-naphthalen-1-yl-4-phenyl-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 146890499
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenanthren-2-yl)-1,3,5-triazine
CID 164961687
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 165054491) is 2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is QISVTDNLTGSVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-3-12-24(13-4-1)28-22-23-32(30-20-10-9-19-29(28)30)35-37-33(26-15-5-2-6-16-26)36-34(38-35)31-21-11-17-25-14-7-8-18-27(25)31/h1-23H.
What are the key properties of 2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 485.59 g/mol, XLogP of 8.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 165054491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).